| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: 4-tert-Amylphenol 4-tert-Amylphenol
4-(1,1,3,3-Tetramethylbutyl)-phenol
4-t-Amylphenol; 4-tert-Pentylphenol; 80-46-6; C14226; p-tert-Amylphenol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.49 | 4.42 | -3.18 | 1 | 1 | 0 | 20 | 164.248 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 254-256? | Alfa-Aesar |
| Boiling_Point | 254-256° | Alfa-Aesar |
| BP [°C] | 255 | Acros Organics |
| MP | 88 - 89 | Enamine Building Blocks |
| Melting_Point | 88-89? | Alfa-Aesar |
| Melting_Point | 88-89° | Alfa-Aesar |
| MP | 88...89 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 94 | TCI |
| purity | 95 | Enamine Building Blocks |
| Mp [°C] | >91 | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| Hazard | C: Corrosive; N: Dangerous for the environment | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P273: Avoid release to the environment; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwe | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.